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L-Valine, N-benzyloxycarbonyl-, nonyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-benzyloxycarbonyl-, nonyl ester
SpectraBase Compound ID Lf1uRUHJUQM
InChI InChI=1S/C22H35NO4/c1-4-5-6-7-8-9-13-16-26-21(24)20(18(2)3)23-22(25)27-17-19-14-11-10-12-15-19/h10-12,14-15,18,20H,4-9,13,16-17H2,1-3H3,(H,23,25)
InChIKey VHDKTRFNSFLQEC-UHFFFAOYSA-N
Mol Weight 377.5 g/mol
Molecular Formula C22H35NO4
Exact Mass 377.256609 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L0991EmX6Au
Name L-Valine, N-benzyloxycarbonyl-, nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 377.256608607 u
Formula C22H35NO4
InChI InChI=1S/C22H35NO4/c1-4-5-6-7-8-9-13-16-26-21(24)20(18(2)3)23-22(25)27-17-19-14-11-10-12-15-19/h10-12,14-15,18,20H,4-9,13,16-17H2,1-3H3,(H,23,25)
InChIKey VHDKTRFNSFLQEC-UHFFFAOYSA-N
Molecular Weight 377.525 g/mol
SMILES C(OCC1=CC=CC=C1)(NC(C(OCCCCCCCCC)=O)C(C)C)=O